SCHEMBL13680994

SCHEMBL13680994

O=CCCc1csc(-c2ccc3c(c2)CC(=O)O3)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.37
SHMT2 P34897 1/20 0.37
PLA2G10 O15496 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CLK1 P49759 1/20 0.35
LMNA P02545 7/20 0.34
SMN1; SMN2 Q16637 6/20 0.34
KDM4E B2RXH2 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 1/20 0.34
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13680623 0.78 NPC1 (0.41) PLA2G10NPC1RAB9ACLK1SMN1; SMN2
SCHEMBL13680993 0.77 PRF1 (0.53) LMNASMN1; SMN2GAA
SCHEMBL13681010 0.77 PDE3B (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL13681043 0.76 HSD17B1 (0.42) LMNASMN1; SMN2KDM4EL3MBTL1RXFP1
SCHEMBL13680968 0.76 ALDH1A1 (0.35) SMN1; SMN2KDM4ERXFP1ALDH1A1HPGD
SCHEMBL13681000 0.75 CRBN (0.40) NPC1RAB9ALMNASMN1; SMN2KDM4E
SCHEMBL13681013 0.74 PRF1 (0.43) LMNASMN1; SMN2L3MBTL1RXFP1ALDH1A1
SCHEMBL13680991 0.74 PDE3B (0.48) LMNASMN1; SMN2KDM4EL3MBTL1RXFP1
SCHEMBL13680995 0.72 CDC25A (0.48) LMNASMN1; SMN2KDM4EL3MBTL1RXFP1
SCHEMBL13680922 0.72 GFER (0.62) NPC1RAB9ALMNASMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed